USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -1.54 (180deg=-4.04!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 82 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 108 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 82.150 31.162 10.746 1.00 0.00 N ATOM 527 CA PHE A 34 82.112 31.915 9.498 1.00 0.00 C ATOM 528 C PHE A 34 81.863 33.396 9.764 1.00 0.00 C ATOM 529 O PHE A 34 81.434 33.781 10.852 1.00 0.00 O ATOM 530 CB PHE A 34 81.023 31.361 8.577 1.00 0.00 C ATOM 531 CG PHE A 34 79.807 30.873 9.312 1.00 0.00 C ATOM 532 CD1 PHE A 34 79.140 31.701 10.201 1.00 0.00 C ATOM 533 CD2 PHE A 34 79.331 29.587 9.115 1.00 0.00 C ATOM 534 CE1 PHE A 34 78.021 31.256 10.879 1.00 0.00 C ATOM 535 CE2 PHE A 34 78.212 29.136 9.790 1.00 0.00 C ATOM 536 CZ PHE A 34 77.557 29.971 10.674 1.00 0.00 C ATOM 0 HA PHE A 34 83.081 31.809 9.009 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.725 32.137 7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 34 81.437 30.541 7.991 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.499 32.706 10.366 1.00 0.00 H new ATOM 0 HD2 PHE A 34 79.840 28.929 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.510 31.912 11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 34 77.850 28.132 9.626 1.00 0.00 H new ATOM 0 HZ PHE A 34 76.684 29.620 11.204 1.00 0.00 H new ATOM 546 N THR A 35 82.137 34.226 8.762 1.00 0.00 N ATOM 547 CA THR A 35 81.946 35.665 8.886 1.00 0.00 C ATOM 548 C THR A 35 80.716 36.125 8.112 1.00 0.00 C ATOM 549 O THR A 35 80.231 35.424 7.224 1.00 0.00 O ATOM 550 CB THR A 35 83.177 36.441 8.381 1.00 0.00 C ATOM 551 OG1 THR A 35 82.901 37.846 8.373 1.00 0.00 O ATOM 552 CG2 THR A 35 83.567 35.987 6.983 1.00 0.00 C ATOM 0 H THR A 35 82.492 33.925 7.855 1.00 0.00 H new ATOM 0 HA THR A 35 81.804 35.875 9.946 1.00 0.00 H new ATOM 0 HB THR A 35 84.009 36.239 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 35 83.689 38.332 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.439 36.549 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 35 83.805 34.923 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 35 82.737 36.163 6.299 1.00 0.00 H new ATOM 560 N VAL A 36 80.217 37.309 8.452 1.00 0.00 N ATOM 561 CA VAL A 36 79.045 37.864 7.787 1.00 0.00 C ATOM 562 C VAL A 36 79.236 37.900 6.275 1.00 0.00 C ATOM 563 O VAL A 36 78.307 37.629 5.515 1.00 0.00 O ATOM 564 CB VAL A 36 78.736 39.288 8.288 1.00 0.00 C ATOM 565 CG1 VAL A 36 79.955 40.185 8.131 1.00 0.00 C ATOM 566 CG2 VAL A 36 77.540 39.866 7.547 1.00 0.00 C ATOM 0 H VAL A 36 80.607 37.902 9.185 1.00 0.00 H new ATOM 0 HA VAL A 36 78.206 37.212 8.029 1.00 0.00 H new ATOM 0 HB VAL A 36 78.487 39.235 9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 36 79.718 41.187 8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.783 39.778 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.238 40.234 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 36 77.336 40.872 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 36 77.758 39.906 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 36 76.668 39.235 7.716 1.00 0.00 H new ATOM 576 N ALA A 37 80.448 38.236 5.845 1.00 0.00 N ATOM 577 CA ALA A 37 80.763 38.304 4.423 1.00 0.00 C ATOM 578 C ALA A 37 80.651 36.931 3.770 1.00 0.00 C ATOM 579 O ALA A 37 80.014 36.780 2.728 1.00 0.00 O ATOM 580 CB ALA A 37 82.157 38.877 4.219 1.00 0.00 C ATOM 0 H ALA A 37 81.228 38.465 6.461 1.00 0.00 H new ATOM 0 HA ALA A 37 80.038 38.964 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.379 38.922 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.203 39.880 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 37 82.889 38.240 4.716 1.00 0.00 H new ATOM 586 N GLU A 38 81.275 35.934 4.388 1.00 0.00 N ATOM 587 CA GLU A 38 81.246 34.573 3.864 1.00 0.00 C ATOM 588 C GLU A 38 79.822 34.024 3.856 1.00 0.00 C ATOM 589 O GLU A 38 79.360 33.482 2.852 1.00 0.00 O ATOM 590 CB GLU A 38 82.151 33.663 4.697 1.00 0.00 C ATOM 591 CG GLU A 38 82.391 32.302 4.066 1.00 0.00 C ATOM 592 CD GLU A 38 83.482 31.517 4.768 1.00 0.00 C ATOM 593 OE1 GLU A 38 83.320 31.220 5.970 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.498 31.200 4.115 1.00 0.00 O ATOM 0 H GLU A 38 81.807 36.042 5.252 1.00 0.00 H new ATOM 0 HA GLU A 38 81.613 34.597 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 38 83.110 34.158 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.705 33.524 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.465 31.728 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.661 32.434 3.018 1.00 0.00 H new ATOM 601 N VAL A 39 79.132 34.167 4.983 1.00 0.00 N ATOM 602 CA VAL A 39 77.762 33.686 5.107 1.00 0.00 C ATOM 603 C VAL A 39 76.836 34.408 4.135 1.00 0.00 C ATOM 604 O VAL A 39 75.908 33.812 3.588 1.00 0.00 O ATOM 605 CB VAL A 39 77.229 33.872 6.540 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.785 33.401 6.639 1.00 0.00 C ATOM 607 CG2 VAL A 39 78.109 33.131 7.536 1.00 0.00 C ATOM 0 H VAL A 39 79.500 34.612 5.824 1.00 0.00 H new ATOM 0 HA VAL A 39 77.777 32.623 4.868 1.00 0.00 H new ATOM 0 HB VAL A 39 77.257 34.934 6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.426 33.540 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.166 33.980 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.728 32.345 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.718 33.273 8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 39 78.115 32.068 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.126 33.520 7.483 1.00 0.00 H new ATOM 617 N GLU A 40 77.095 35.694 3.923 1.00 0.00 N ATOM 618 CA GLU A 40 76.284 36.498 3.016 1.00 0.00 C ATOM 619 C GLU A 40 76.374 35.965 1.589 1.00 0.00 C ATOM 620 O GLU A 40 75.357 35.759 0.926 1.00 0.00 O ATOM 621 CB GLU A 40 76.732 37.960 3.056 1.00 0.00 C ATOM 622 CG GLU A 40 76.002 38.793 4.096 1.00 0.00 C ATOM 623 CD GLU A 40 76.611 40.170 4.273 1.00 0.00 C ATOM 624 OE1 GLU A 40 77.665 40.436 3.658 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.035 40.982 5.027 1.00 0.00 O ATOM 0 H GLU A 40 77.860 36.202 4.367 1.00 0.00 H new ATOM 0 HA GLU A 40 75.246 36.435 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.802 37.998 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.578 38.405 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.957 38.897 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.016 38.268 5.051 1.00 0.00 H new ATOM 632 N LEU A 41 77.598 35.745 1.123 1.00 0.00 N ATOM 633 CA LEU A 41 77.823 35.236 -0.226 1.00 0.00 C ATOM 634 C LEU A 41 77.280 33.818 -0.371 1.00 0.00 C ATOM 635 O LEU A 41 76.641 33.485 -1.370 1.00 0.00 O ATOM 636 CB LEU A 41 79.315 35.259 -0.559 1.00 0.00 C ATOM 637 CG LEU A 41 79.970 36.640 -0.610 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.449 36.543 -0.267 1.00 0.00 C ATOM 639 CD2 LEU A 41 79.780 37.271 -1.981 1.00 0.00 C ATOM 0 H LEU A 41 78.450 35.911 1.659 1.00 0.00 H new ATOM 0 HA LEU A 41 77.291 35.882 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.841 34.656 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.459 34.775 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 41 79.487 37.277 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 81.898 37.535 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.564 36.135 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.947 35.889 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.253 38.253 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.236 36.636 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 78.715 37.377 -2.188 1.00 0.00 H new ATOM 651 N LEU A 42 77.536 32.987 0.633 1.00 0.00 N ATOM 652 CA LEU A 42 77.071 31.604 0.619 1.00 0.00 C ATOM 653 C LEU A 42 75.561 31.539 0.412 1.00 0.00 C ATOM 654 O LEU A 42 75.085 31.077 -0.625 1.00 0.00 O ATOM 655 CB LEU A 42 77.449 30.905 1.926 1.00 0.00 C ATOM 656 CG LEU A 42 77.129 29.412 2.006 1.00 0.00 C ATOM 657 CD1 LEU A 42 78.025 28.728 3.026 1.00 0.00 C ATOM 658 CD2 LEU A 42 75.663 29.199 2.353 1.00 0.00 C ATOM 0 H LEU A 42 78.063 33.246 1.467 1.00 0.00 H new ATOM 0 HA LEU A 42 77.555 31.092 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.519 31.036 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.938 31.410 2.746 1.00 0.00 H new ATOM 0 HG LEU A 42 77.319 28.966 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.783 27.666 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 79.068 28.851 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.868 29.176 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.453 28.131 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 42 75.447 29.659 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 75.037 29.654 1.585 1.00 0.00 H new ATOM 670 N VAL A 43 74.813 32.008 1.406 1.00 0.00 N ATOM 671 CA VAL A 43 73.356 32.006 1.333 1.00 0.00 C ATOM 672 C VAL A 43 72.870 32.689 0.059 1.00 0.00 C ATOM 673 O VAL A 43 71.910 32.243 -0.568 1.00 0.00 O ATOM 674 CB VAL A 43 72.732 32.711 2.551 1.00 0.00 C ATOM 675 CG1 VAL A 43 73.072 31.965 3.832 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.199 34.157 2.627 1.00 0.00 C ATOM 0 H VAL A 43 75.191 32.394 2.271 1.00 0.00 H new ATOM 0 HA VAL A 43 73.040 30.963 1.326 1.00 0.00 H new ATOM 0 HB VAL A 43 71.648 32.709 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 43 72.622 32.478 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 72.683 30.948 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 43 74.154 31.933 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.748 34.640 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 43 74.285 34.184 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 43 72.899 34.684 1.721 1.00 0.00 H new ATOM 686 N GLU A 44 73.540 33.774 -0.317 1.00 0.00 N ATOM 687 CA GLU A 44 73.174 34.519 -1.516 1.00 0.00 C ATOM 688 C GLU A 44 73.351 33.660 -2.765 1.00 0.00 C ATOM 689 O GLU A 44 72.674 33.864 -3.772 1.00 0.00 O ATOM 690 CB GLU A 44 74.021 35.788 -1.632 1.00 0.00 C ATOM 691 CG GLU A 44 73.659 36.654 -2.827 1.00 0.00 C ATOM 692 CD GLU A 44 74.501 36.343 -4.049 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.742 36.287 -3.915 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.921 36.157 -5.139 1.00 0.00 O ATOM 0 H GLU A 44 74.338 34.156 0.191 1.00 0.00 H new ATOM 0 HA GLU A 44 72.123 34.798 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 44 73.907 36.375 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.072 35.508 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 44 72.606 36.510 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 44 73.784 37.704 -2.562 1.00 0.00 H new ATOM 701 N ALA A 45 74.267 32.700 -2.690 1.00 0.00 N ATOM 702 CA ALA A 45 74.532 31.809 -3.813 1.00 0.00 C ATOM 703 C ALA A 45 73.418 30.779 -3.972 1.00 0.00 C ATOM 704 O ALA A 45 72.886 30.590 -5.066 1.00 0.00 O ATOM 705 CB ALA A 45 75.873 31.114 -3.630 1.00 0.00 C ATOM 0 H ALA A 45 74.838 32.519 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 45 74.567 32.411 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.058 30.452 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.665 31.861 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.858 30.531 -2.709 1.00 0.00 H new ATOM 711 N VAL A 46 73.071 30.115 -2.874 1.00 0.00 N ATOM 712 CA VAL A 46 72.020 29.105 -2.892 1.00 0.00 C ATOM 713 C VAL A 46 70.641 29.748 -2.989 1.00 0.00 C ATOM 714 O VAL A 46 69.710 29.161 -3.539 1.00 0.00 O ATOM 715 CB VAL A 46 72.074 28.217 -1.634 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.316 29.063 -0.394 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.792 27.410 -1.497 1.00 0.00 C ATOM 0 H VAL A 46 73.502 30.258 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 46 72.191 28.486 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 46 72.906 27.520 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.351 28.419 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.264 29.592 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.507 29.785 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.847 26.788 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.942 28.088 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.667 26.775 -2.374 1.00 0.00 H new ATOM 727 N GLU A 47 70.519 30.957 -2.451 1.00 0.00 N ATOM 728 CA GLU A 47 69.253 31.679 -2.477 1.00 0.00 C ATOM 729 C GLU A 47 68.921 32.145 -3.892 1.00 0.00 C ATOM 730 O GLU A 47 67.755 32.183 -4.288 1.00 0.00 O ATOM 731 CB GLU A 47 69.307 32.882 -1.533 1.00 0.00 C ATOM 732 CG GLU A 47 67.970 33.586 -1.367 1.00 0.00 C ATOM 733 CD GLU A 47 67.740 34.656 -2.416 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.566 35.589 -2.503 1.00 0.00 O ATOM 735 OE2 GLU A 47 66.734 34.561 -3.149 1.00 0.00 O ATOM 0 H GLU A 47 71.281 31.457 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 47 68.470 30.998 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.657 32.551 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.040 33.596 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 47 67.167 32.851 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.922 34.038 -0.376 1.00 0.00 H new ATOM 742 N HIS A 48 69.954 32.498 -4.650 1.00 0.00 N ATOM 743 CA HIS A 48 69.773 32.961 -6.021 1.00 0.00 C ATOM 744 C HIS A 48 69.361 31.810 -6.934 1.00 0.00 C ATOM 745 O HIS A 48 68.520 31.975 -7.819 1.00 0.00 O ATOM 746 CB HIS A 48 71.061 33.602 -6.540 1.00 0.00 C ATOM 747 CG HIS A 48 70.843 34.540 -7.688 1.00 0.00 C ATOM 748 ND1 HIS A 48 70.460 35.854 -7.524 1.00 0.00 N ATOM 749 CD2 HIS A 48 70.959 34.347 -9.022 1.00 0.00 C ATOM 750 CE1 HIS A 48 70.348 36.428 -8.708 1.00 0.00 C ATOM 751 NE2 HIS A 48 70.646 35.535 -9.634 1.00 0.00 N ATOM 0 H HIS A 48 70.925 32.472 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 48 68.978 33.706 -6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.542 34.144 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.749 32.816 -6.850 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.245 33.429 -9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 48 70.061 37.454 -8.888 1.00 0.00 H new ATOM 0 HE2 HIS A 48 70.644 35.701 -10.640 1.00 0.00 H new ATOM 759 N LEU A 49 69.958 30.644 -6.713 1.00 0.00 N ATOM 760 CA LEU A 49 69.654 29.465 -7.516 1.00 0.00 C ATOM 761 C LEU A 49 68.499 28.676 -6.909 1.00 0.00 C ATOM 762 O LEU A 49 67.967 27.757 -7.530 1.00 0.00 O ATOM 763 CB LEU A 49 70.890 28.571 -7.634 1.00 0.00 C ATOM 764 CG LEU A 49 72.133 29.222 -8.244 1.00 0.00 C ATOM 765 CD1 LEU A 49 73.392 28.504 -7.783 1.00 0.00 C ATOM 766 CD2 LEU A 49 72.043 29.223 -9.763 1.00 0.00 C ATOM 0 H LEU A 49 70.655 30.490 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 49 69.359 29.800 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 49 71.146 28.206 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 49 70.628 27.700 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 49 72.183 30.256 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 49 74.266 28.981 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 49 73.463 28.556 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 49 73.351 27.460 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.935 29.690 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.968 28.197 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 49 71.161 29.783 -10.075 1.00 0.00 H new ATOM 778 N GLY A 50 68.113 29.043 -5.690 1.00 0.00 N ATOM 779 CA GLY A 50 67.022 28.361 -5.020 1.00 0.00 C ATOM 780 C GLY A 50 67.239 26.863 -4.936 1.00 0.00 C ATOM 781 O GLY A 50 68.224 26.401 -4.359 1.00 0.00 O ATOM 0 H GLY A 50 68.537 29.801 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.908 28.765 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.092 28.561 -5.551 1.00 0.00 H new ATOM 785 N THR A 51 66.315 26.100 -5.512 1.00 0.00 N ATOM 786 CA THR A 51 66.408 24.645 -5.498 1.00 0.00 C ATOM 787 C THR A 51 67.096 24.126 -6.755 1.00 0.00 C ATOM 788 O THR A 51 66.644 23.158 -7.366 1.00 0.00 O ATOM 789 CB THR A 51 65.016 23.995 -5.381 1.00 0.00 C ATOM 790 OG1 THR A 51 64.218 24.711 -4.433 1.00 0.00 O ATOM 791 CG2 THR A 51 65.133 22.539 -4.956 1.00 0.00 C ATOM 0 H THR A 51 65.494 26.465 -5.994 1.00 0.00 H new ATOM 0 HA THR A 51 67.002 24.374 -4.625 1.00 0.00 H new ATOM 0 HB THR A 51 64.538 24.034 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 51 63.335 24.292 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.138 22.101 -4.880 1.00 0.00 H new ATOM 0 HG22 THR A 51 65.716 21.990 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.630 22.481 -3.987 1.00 0.00 H new ATOM 799 N GLY A 52 68.192 24.775 -7.135 1.00 0.00 N ATOM 800 CA GLY A 52 68.925 24.363 -8.318 1.00 0.00 C ATOM 801 C GLY A 52 69.863 23.204 -8.044 1.00 0.00 C ATOM 802 O GLY A 52 69.465 22.202 -7.449 1.00 0.00 O ATOM 0 H GLY A 52 68.585 25.578 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.219 24.079 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.498 25.208 -8.699 1.00 0.00 H new ATOM 806 N ARG A 53 71.111 23.338 -8.481 1.00 0.00 N ATOM 807 CA ARG A 53 72.107 22.293 -8.282 1.00 0.00 C ATOM 808 C ARG A 53 73.164 22.733 -7.273 1.00 0.00 C ATOM 809 O ARG A 53 73.357 23.927 -7.043 1.00 0.00 O ATOM 810 CB ARG A 53 72.774 21.934 -9.611 1.00 0.00 C ATOM 811 CG ARG A 53 71.800 21.429 -10.664 1.00 0.00 C ATOM 812 CD ARG A 53 72.530 20.855 -11.868 1.00 0.00 C ATOM 813 NE ARG A 53 72.959 19.477 -11.643 1.00 0.00 N ATOM 814 CZ ARG A 53 73.255 18.630 -12.622 1.00 0.00 C ATOM 815 NH1 ARG A 53 73.170 19.019 -13.887 1.00 0.00 N ATOM 816 NH2 ARG A 53 73.637 17.392 -12.337 1.00 0.00 N ATOM 0 H ARG A 53 71.456 24.161 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 53 71.599 21.413 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 53 73.291 22.812 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.532 21.171 -9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.156 20.665 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.153 22.246 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 53 71.877 20.893 -12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 53 73.399 21.473 -12.093 1.00 0.00 H new ATOM 0 HE ARG A 53 73.035 19.147 -10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 53 72.877 19.970 -14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 73.398 18.367 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 53 73.704 17.090 -11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 53 73.864 16.742 -13.090 1.00 0.00 H new ATOM 830 N TRP A 54 73.845 21.762 -6.676 1.00 0.00 N ATOM 831 CA TRP A 54 74.882 22.050 -5.691 1.00 0.00 C ATOM 832 C TRP A 54 76.105 22.671 -6.355 1.00 0.00 C ATOM 833 O TRP A 54 76.759 23.542 -5.781 1.00 0.00 O ATOM 834 CB TRP A 54 75.281 20.772 -4.952 1.00 0.00 C ATOM 835 CG TRP A 54 74.108 19.936 -4.535 1.00 0.00 C ATOM 836 CD1 TRP A 54 73.002 20.358 -3.854 1.00 0.00 C ATOM 837 CD2 TRP A 54 73.928 18.535 -4.770 1.00 0.00 C ATOM 838 NE1 TRP A 54 72.144 19.304 -3.652 1.00 0.00 N ATOM 839 CE2 TRP A 54 72.689 18.175 -4.205 1.00 0.00 C ATOM 840 CE3 TRP A 54 74.691 17.551 -5.404 1.00 0.00 C ATOM 841 CZ2 TRP A 54 72.199 16.872 -4.255 1.00 0.00 C ATOM 842 CZ3 TRP A 54 74.203 16.259 -5.452 1.00 0.00 C ATOM 843 CH2 TRP A 54 72.967 15.929 -4.882 1.00 0.00 C ATOM 0 H TRP A 54 73.698 20.769 -6.856 1.00 0.00 H new ATOM 0 HA TRP A 54 74.479 22.765 -4.974 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.932 20.178 -5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 54 75.861 21.038 -4.068 1.00 0.00 H new ATOM 0 HD1 TRP A 54 72.827 21.371 -3.523 1.00 0.00 H new ATOM 0 HE1 TRP A 54 71.247 19.354 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 54 75.644 17.796 -5.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 71.247 16.615 -3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 74.785 15.490 -5.938 1.00 0.00 H new ATOM 0 HH2 TRP A 54 72.613 14.910 -4.938 1.00 0.00 H new ATOM 854 N ARG A 55 76.410 22.218 -7.567 1.00 0.00 N ATOM 855 CA ARG A 55 77.556 22.729 -8.308 1.00 0.00 C ATOM 856 C ARG A 55 77.338 24.184 -8.712 1.00 0.00 C ATOM 857 O ARG A 55 78.278 24.977 -8.746 1.00 0.00 O ATOM 858 CB ARG A 55 77.808 21.875 -9.553 1.00 0.00 C ATOM 859 CG ARG A 55 78.019 20.401 -9.248 1.00 0.00 C ATOM 860 CD ARG A 55 79.491 20.083 -9.033 1.00 0.00 C ATOM 861 NE ARG A 55 80.273 20.260 -10.253 1.00 0.00 N ATOM 862 CZ ARG A 55 80.304 19.373 -11.242 1.00 0.00 C ATOM 863 NH1 ARG A 55 79.600 18.253 -11.154 1.00 0.00 N ATOM 864 NH2 ARG A 55 81.040 19.606 -12.321 1.00 0.00 N ATOM 0 H ARG A 55 75.879 21.498 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 55 78.429 22.678 -7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.962 21.979 -10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 55 78.685 22.258 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.453 20.128 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.632 19.799 -10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.890 20.727 -8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.593 19.056 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 55 80.826 21.111 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 55 79.033 18.071 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.625 17.574 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.583 20.467 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 55 81.063 18.924 -13.080 1.00 0.00 H new ATOM 878 N ASP A 56 76.091 24.527 -9.018 1.00 0.00 N ATOM 879 CA ASP A 56 75.749 25.886 -9.419 1.00 0.00 C ATOM 880 C ASP A 56 76.019 26.871 -8.286 1.00 0.00 C ATOM 881 O ASP A 56 76.638 27.915 -8.492 1.00 0.00 O ATOM 882 CB ASP A 56 74.280 25.962 -9.838 1.00 0.00 C ATOM 883 CG ASP A 56 74.041 25.383 -11.219 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.902 24.615 -11.697 1.00 0.00 O ATOM 885 OD2 ASP A 56 72.993 25.696 -11.820 1.00 0.00 O ATOM 0 H ASP A 56 75.301 23.882 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 56 76.376 26.157 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.670 25.425 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.954 27.002 -9.822 1.00 0.00 H new ATOM 890 N VAL A 57 75.549 26.533 -7.090 1.00 0.00 N ATOM 891 CA VAL A 57 75.739 27.388 -5.924 1.00 0.00 C ATOM 892 C VAL A 57 77.202 27.413 -5.494 1.00 0.00 C ATOM 893 O VAL A 57 77.679 28.401 -4.936 1.00 0.00 O ATOM 894 CB VAL A 57 74.875 26.919 -4.738 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.127 25.449 -4.441 1.00 0.00 C ATOM 896 CG2 VAL A 57 75.149 27.774 -3.509 1.00 0.00 C ATOM 0 H VAL A 57 75.034 25.673 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 57 75.431 28.393 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 57 73.825 27.035 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 74.508 25.136 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 57 74.876 24.852 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 57 76.178 25.303 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 74.530 27.429 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 57 76.201 27.691 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 57 74.912 28.815 -3.730 1.00 0.00 H new ATOM 906 N LYS A 58 77.910 26.321 -5.759 1.00 0.00 N ATOM 907 CA LYS A 58 79.320 26.216 -5.403 1.00 0.00 C ATOM 908 C LYS A 58 80.154 27.230 -6.180 1.00 0.00 C ATOM 909 O LYS A 58 80.987 27.932 -5.607 1.00 0.00 O ATOM 910 CB LYS A 58 79.833 24.801 -5.676 1.00 0.00 C ATOM 911 CG LYS A 58 81.304 24.614 -5.349 1.00 0.00 C ATOM 912 CD LYS A 58 81.555 24.681 -3.851 1.00 0.00 C ATOM 913 CE LYS A 58 82.018 26.066 -3.426 1.00 0.00 C ATOM 914 NZ LYS A 58 83.293 26.453 -4.091 1.00 0.00 N ATOM 0 H LYS A 58 77.530 25.494 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 58 79.417 26.431 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.247 24.092 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.670 24.561 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.644 23.652 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.890 25.383 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.642 24.421 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.308 23.943 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.246 26.797 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 58 82.151 26.088 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 83.822 27.103 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.864 25.602 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.084 26.925 -4.994 1.00 0.00 H new ATOM 928 N PHE A 59 79.923 27.301 -7.487 1.00 0.00 N ATOM 929 CA PHE A 59 80.653 28.230 -8.342 1.00 0.00 C ATOM 930 C PHE A 59 80.057 29.632 -8.256 1.00 0.00 C ATOM 931 O PHE A 59 80.773 30.629 -8.345 1.00 0.00 O ATOM 932 CB PHE A 59 80.634 27.743 -9.792 1.00 0.00 C ATOM 933 CG PHE A 59 81.148 28.758 -10.773 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.494 28.809 -11.095 1.00 0.00 C ATOM 935 CD2 PHE A 59 80.284 29.661 -11.372 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.970 29.743 -11.996 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.754 30.597 -12.274 1.00 0.00 C ATOM 938 CZ PHE A 59 82.098 30.637 -12.587 1.00 0.00 C ATOM 0 H PHE A 59 79.237 26.727 -7.977 1.00 0.00 H new ATOM 0 HA PHE A 59 81.685 28.272 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 59 81.235 26.837 -9.870 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.613 27.473 -10.063 1.00 0.00 H new ATOM 0 HD1 PHE A 59 83.179 28.111 -10.637 1.00 0.00 H new ATOM 0 HD2 PHE A 59 79.232 29.633 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 59 84.022 29.774 -12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.071 31.296 -12.733 1.00 0.00 H new ATOM 0 HZ PHE A 59 82.467 31.366 -13.293 1.00 0.00 H new ATOM 948 N ARG A 60 78.741 29.699 -8.084 1.00 0.00 N ATOM 949 CA ARG A 60 78.047 30.978 -7.988 1.00 0.00 C ATOM 950 C ARG A 60 78.375 31.677 -6.672 1.00 0.00 C ATOM 951 O ARG A 60 78.264 32.897 -6.562 1.00 0.00 O ATOM 952 CB ARG A 60 76.536 30.772 -8.106 1.00 0.00 C ATOM 953 CG ARG A 60 75.728 32.036 -7.857 1.00 0.00 C ATOM 954 CD ARG A 60 76.127 33.149 -8.813 1.00 0.00 C ATOM 955 NE ARG A 60 75.920 32.773 -10.208 1.00 0.00 N ATOM 956 CZ ARG A 60 76.025 33.625 -11.222 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.333 34.895 -10.997 1.00 0.00 N ATOM 958 NH2 ARG A 60 75.822 33.207 -12.465 1.00 0.00 N ATOM 0 H ARG A 60 78.134 28.883 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 60 78.386 31.610 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.306 30.394 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.225 30.006 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 60 74.666 31.819 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 60 75.876 32.367 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.547 34.044 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 60 77.176 33.402 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 60 75.682 31.803 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 60 76.490 35.220 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.413 35.546 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 60 75.585 32.231 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 60 75.903 33.862 -13.243 1.00 0.00 H new ATOM 972 N ALA A 61 78.780 30.894 -5.677 1.00 0.00 N ATOM 973 CA ALA A 61 79.125 31.438 -4.370 1.00 0.00 C ATOM 974 C ALA A 61 80.505 32.087 -4.392 1.00 0.00 C ATOM 975 O ALA A 61 80.626 33.312 -4.379 1.00 0.00 O ATOM 976 CB ALA A 61 79.071 30.345 -3.312 1.00 0.00 C ATOM 0 H ALA A 61 78.877 29.881 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 61 78.394 32.207 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 61 79.331 30.766 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.064 29.929 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 61 79.779 29.556 -3.567 1.00 0.00 H new ATOM 982 N PHE A 62 81.543 31.258 -4.425 1.00 0.00 N ATOM 983 CA PHE A 62 82.915 31.751 -4.448 1.00 0.00 C ATOM 984 C PHE A 62 83.887 30.637 -4.825 1.00 0.00 C ATOM 985 O PHE A 62 84.189 29.763 -4.013 1.00 0.00 O ATOM 986 CB PHE A 62 83.293 32.333 -3.084 1.00 0.00 C ATOM 987 CG PHE A 62 82.646 31.623 -1.929 1.00 0.00 C ATOM 988 CD1 PHE A 62 83.235 30.500 -1.372 1.00 0.00 C ATOM 989 CD2 PHE A 62 81.448 32.079 -1.402 1.00 0.00 C ATOM 990 CE1 PHE A 62 82.643 29.845 -0.309 1.00 0.00 C ATOM 991 CE2 PHE A 62 80.851 31.428 -0.339 1.00 0.00 C ATOM 992 CZ PHE A 62 81.449 30.309 0.208 1.00 0.00 C ATOM 0 H PHE A 62 81.460 30.241 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 62 82.980 32.536 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 62 84.376 32.289 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 62 83.012 33.386 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.168 30.132 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 62 80.976 32.953 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 62 83.113 28.971 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 62 79.918 31.794 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 62 80.984 29.798 1.038 1.00 0.00 H new ATOM 1002 N GLU A 63 84.373 30.676 -6.062 1.00 0.00 N ATOM 1003 CA GLU A 63 85.309 29.669 -6.546 1.00 0.00 C ATOM 1004 C GLU A 63 86.751 30.135 -6.365 1.00 0.00 C ATOM 1005 O GLU A 63 87.597 29.924 -7.233 1.00 0.00 O ATOM 1006 CB GLU A 63 85.043 29.361 -8.021 1.00 0.00 C ATOM 1007 CG GLU A 63 85.273 30.547 -8.942 1.00 0.00 C ATOM 1008 CD GLU A 63 85.627 30.129 -10.356 1.00 0.00 C ATOM 1009 OE1 GLU A 63 85.613 28.911 -10.634 1.00 0.00 O ATOM 1010 OE2 GLU A 63 85.919 31.017 -11.183 1.00 0.00 O ATOM 0 H GLU A 63 84.134 31.394 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 63 85.162 28.762 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.687 28.539 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.014 29.020 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.375 31.164 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 63 86.075 31.165 -8.539 1.00 0.00 H new ATOM 1081 N ARG A 68 86.349 24.629 0.224 1.00 0.00 N ATOM 1082 CA ARG A 68 85.004 24.879 -0.280 1.00 0.00 C ATOM 1083 C ARG A 68 84.388 23.601 -0.841 1.00 0.00 C ATOM 1084 O ARG A 68 85.080 22.775 -1.438 1.00 0.00 O ATOM 1085 CB ARG A 68 85.034 25.961 -1.361 1.00 0.00 C ATOM 1086 CG ARG A 68 85.910 25.608 -2.552 1.00 0.00 C ATOM 1087 CD ARG A 68 86.380 26.853 -3.286 1.00 0.00 C ATOM 1088 NE ARG A 68 87.814 26.817 -3.563 1.00 0.00 N ATOM 1089 CZ ARG A 68 88.372 25.993 -4.442 1.00 0.00 C ATOM 1090 NH1 ARG A 68 87.622 25.141 -5.127 1.00 0.00 N ATOM 1091 NH2 ARG A 68 89.684 26.020 -4.638 1.00 0.00 N ATOM 0 HA ARG A 68 84.389 25.224 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 68 84.017 26.143 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 68 85.391 26.892 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 68 86.774 25.036 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 85.354 24.968 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 68 85.832 26.950 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 68 86.148 27.735 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 68 88.420 27.460 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 68 86.613 25.117 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 68 88.054 24.509 -5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 68 90.265 26.674 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 68 90.112 25.387 -5.313 1.00 0.00 H new ATOM 1105 N THR A 69 83.082 23.444 -0.646 1.00 0.00 N ATOM 1106 CA THR A 69 82.373 22.267 -1.130 1.00 0.00 C ATOM 1107 C THR A 69 80.909 22.584 -1.412 1.00 0.00 C ATOM 1108 O THR A 69 80.230 23.204 -0.594 1.00 0.00 O ATOM 1109 CB THR A 69 82.450 21.108 -0.118 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.056 21.560 1.098 1.00 0.00 O ATOM 1111 CG2 THR A 69 83.247 19.945 -0.687 1.00 0.00 C ATOM 0 H THR A 69 82.494 24.118 -0.156 1.00 0.00 H new ATOM 0 HA THR A 69 82.861 21.963 -2.056 1.00 0.00 H new ATOM 0 HB THR A 69 81.436 20.766 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.100 20.818 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 69 83.288 19.139 0.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 82.766 19.585 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 69 84.259 20.276 -0.918 1.00 0.00 H new ATOM 1119 N TYR A 70 80.429 22.155 -2.574 1.00 0.00 N ATOM 1120 CA TYR A 70 79.045 22.396 -2.964 1.00 0.00 C ATOM 1121 C TYR A 70 78.086 21.992 -1.848 1.00 0.00 C ATOM 1122 O TYR A 70 77.160 22.730 -1.512 1.00 0.00 O ATOM 1123 CB TYR A 70 78.712 21.624 -4.242 1.00 0.00 C ATOM 1124 CG TYR A 70 79.038 20.149 -4.161 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.308 19.680 -4.471 1.00 0.00 C ATOM 1126 CD2 TYR A 70 78.075 19.225 -3.773 1.00 0.00 C ATOM 1127 CE1 TYR A 70 80.610 18.334 -4.400 1.00 0.00 C ATOM 1128 CE2 TYR A 70 78.368 17.878 -3.697 1.00 0.00 C ATOM 1129 CZ TYR A 70 79.637 17.437 -4.012 1.00 0.00 C ATOM 1130 OH TYR A 70 79.934 16.095 -3.937 1.00 0.00 O ATOM 0 H TYR A 70 80.978 21.639 -3.262 1.00 0.00 H new ATOM 0 HA TYR A 70 78.927 23.463 -3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 70 77.651 21.741 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 70 79.260 22.063 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 70 81.073 20.380 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 70 77.080 19.567 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.602 17.986 -4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 70 77.608 17.173 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 70 79.139 15.600 -3.647 1.00 0.00 H new ATOM 1140 N VAL A 71 78.316 20.814 -1.277 1.00 0.00 N ATOM 1141 CA VAL A 71 77.475 20.310 -0.198 1.00 0.00 C ATOM 1142 C VAL A 71 77.612 21.171 1.053 1.00 0.00 C ATOM 1143 O VAL A 71 76.667 21.313 1.829 1.00 0.00 O ATOM 1144 CB VAL A 71 77.826 18.853 0.154 1.00 0.00 C ATOM 1145 CG1 VAL A 71 79.282 18.742 0.578 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.903 18.331 1.245 1.00 0.00 C ATOM 0 H VAL A 71 79.078 20.191 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 71 76.445 20.352 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 71 77.684 18.239 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 71 79.512 17.705 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.925 19.073 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 71 79.455 19.368 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 71 77.166 17.300 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 71 77.011 18.946 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.870 18.372 0.898 1.00 0.00 H new ATOM 1156 N ASP A 72 78.796 21.745 1.242 1.00 0.00 N ATOM 1157 CA ASP A 72 79.058 22.594 2.399 1.00 0.00 C ATOM 1158 C ASP A 72 78.192 23.849 2.359 1.00 0.00 C ATOM 1159 O ASP A 72 77.609 24.247 3.368 1.00 0.00 O ATOM 1160 CB ASP A 72 80.536 22.981 2.449 1.00 0.00 C ATOM 1161 CG ASP A 72 80.895 23.731 3.717 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.127 23.642 4.697 1.00 0.00 O ATOM 1163 OD2 ASP A 72 81.945 24.408 3.728 1.00 0.00 O ATOM 0 H ASP A 72 79.589 21.638 0.609 1.00 0.00 H new ATOM 0 HA ASP A 72 78.807 22.030 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.147 22.081 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.776 23.599 1.584 1.00 0.00 H new ATOM 1168 N LEU A 73 78.112 24.469 1.186 1.00 0.00 N ATOM 1169 CA LEU A 73 77.317 25.680 1.014 1.00 0.00 C ATOM 1170 C LEU A 73 75.832 25.388 1.200 1.00 0.00 C ATOM 1171 O LEU A 73 75.138 26.085 1.941 1.00 0.00 O ATOM 1172 CB LEU A 73 77.561 26.281 -0.371 1.00 0.00 C ATOM 1173 CG LEU A 73 79.024 26.438 -0.786 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.160 27.487 -1.879 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.884 26.803 0.415 1.00 0.00 C ATOM 0 H LEU A 73 78.588 24.153 0.341 1.00 0.00 H new ATOM 0 HA LEU A 73 77.625 26.398 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.060 25.656 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.086 27.261 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 73 79.373 25.484 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.208 27.585 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.577 27.184 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.792 28.445 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.922 26.910 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.535 27.744 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.812 26.016 1.166 1.00 0.00 H new ATOM 1187 N LYS A 74 75.349 24.352 0.524 1.00 0.00 N ATOM 1188 CA LYS A 74 73.946 23.964 0.616 1.00 0.00 C ATOM 1189 C LYS A 74 73.592 23.538 2.037 1.00 0.00 C ATOM 1190 O LYS A 74 72.565 23.947 2.580 1.00 0.00 O ATOM 1191 CB LYS A 74 73.646 22.823 -0.360 1.00 0.00 C ATOM 1192 CG LYS A 74 72.170 22.477 -0.456 1.00 0.00 C ATOM 1193 CD LYS A 74 71.380 23.588 -1.128 1.00 0.00 C ATOM 1194 CE LYS A 74 69.992 23.117 -1.534 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.049 24.256 -1.711 1.00 0.00 N ATOM 0 H LYS A 74 75.909 23.765 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 74 73.337 24.829 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.011 23.097 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 74 74.199 21.936 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 74 72.048 21.551 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.771 22.298 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 74 71.294 24.436 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 74 71.919 23.938 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 74 70.058 22.552 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 74 69.603 22.438 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.114 23.893 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 68.966 24.780 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.407 24.891 -2.453 1.00 0.00 H new ATOM 1209 N ASP A 75 74.447 22.716 2.634 1.00 0.00 N ATOM 1210 CA ASP A 75 74.226 22.236 3.993 1.00 0.00 C ATOM 1211 C ASP A 75 74.312 23.384 4.995 1.00 0.00 C ATOM 1212 O ASP A 75 73.545 23.442 5.957 1.00 0.00 O ATOM 1213 CB ASP A 75 75.247 21.155 4.349 1.00 0.00 C ATOM 1214 CG ASP A 75 74.825 20.332 5.550 1.00 0.00 C ATOM 1215 OD1 ASP A 75 75.118 20.752 6.689 1.00 0.00 O ATOM 1216 OD2 ASP A 75 74.202 19.268 5.351 1.00 0.00 O ATOM 0 H ASP A 75 75.301 22.368 2.198 1.00 0.00 H new ATOM 0 HA ASP A 75 73.225 21.808 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.388 20.496 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.210 21.622 4.553 1.00 0.00 H new ATOM 1221 N LYS A 76 75.250 24.296 4.763 1.00 0.00 N ATOM 1222 CA LYS A 76 75.437 25.443 5.644 1.00 0.00 C ATOM 1223 C LYS A 76 74.189 26.318 5.670 1.00 0.00 C ATOM 1224 O LYS A 76 73.765 26.780 6.729 1.00 0.00 O ATOM 1225 CB LYS A 76 76.643 26.269 5.190 1.00 0.00 C ATOM 1226 CG LYS A 76 77.960 25.800 5.784 1.00 0.00 C ATOM 1227 CD LYS A 76 78.505 26.799 6.790 1.00 0.00 C ATOM 1228 CE LYS A 76 79.584 27.677 6.175 1.00 0.00 C ATOM 1229 NZ LYS A 76 80.944 27.299 6.652 1.00 0.00 N ATOM 0 H LYS A 76 75.893 24.263 3.972 1.00 0.00 H new ATOM 0 HA LYS A 76 75.618 25.070 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 76 76.710 26.231 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.482 27.312 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.818 24.834 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 76 78.688 25.652 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 76 77.693 27.424 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.914 26.266 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.544 27.595 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 76 79.389 28.720 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 81.652 27.920 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 80.990 27.402 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 81.141 26.311 6.393 1.00 0.00 H new ATOM 1243 N TRP A 77 73.603 26.541 4.499 1.00 0.00 N ATOM 1244 CA TRP A 77 72.402 27.360 4.388 1.00 0.00 C ATOM 1245 C TRP A 77 71.231 26.711 5.119 1.00 0.00 C ATOM 1246 O TRP A 77 70.569 27.347 5.939 1.00 0.00 O ATOM 1247 CB TRP A 77 72.043 27.580 2.918 1.00 0.00 C ATOM 1248 CG TRP A 77 70.666 28.139 2.720 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.276 29.436 2.892 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.499 27.417 2.313 1.00 0.00 C ATOM 1251 NE1 TRP A 77 68.936 29.565 2.618 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.436 28.341 2.259 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.248 26.082 1.987 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.145 27.969 1.894 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 67.966 25.714 1.625 1.00 0.00 C ATOM 1256 CH2 TRP A 77 66.928 26.654 1.580 1.00 0.00 C ATOM 0 H TRP A 77 73.941 26.166 3.613 1.00 0.00 H new ATOM 0 HA TRP A 77 72.606 28.325 4.852 1.00 0.00 H new ATOM 0 HB2 TRP A 77 72.770 28.258 2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.122 26.632 2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 77 70.926 30.242 3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.400 30.431 2.673 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.042 25.350 2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.343 28.692 1.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.761 24.684 1.372 1.00 0.00 H new ATOM 0 HH2 TRP A 77 65.937 26.335 1.292 1.00 0.00 H new ATOM 1267 N LYS A 78 70.982 25.442 4.816 1.00 0.00 N ATOM 1268 CA LYS A 78 69.892 24.705 5.445 1.00 0.00 C ATOM 1269 C LYS A 78 70.062 24.669 6.960 1.00 0.00 C ATOM 1270 O LYS A 78 69.120 24.933 7.708 1.00 0.00 O ATOM 1271 CB LYS A 78 69.829 23.279 4.895 1.00 0.00 C ATOM 1272 CG LYS A 78 68.750 22.425 5.539 1.00 0.00 C ATOM 1273 CD LYS A 78 67.359 22.885 5.136 1.00 0.00 C ATOM 1274 CE LYS A 78 66.321 21.801 5.378 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.118 21.541 6.830 1.00 0.00 N ATOM 0 H LYS A 78 71.520 24.902 4.139 1.00 0.00 H new ATOM 0 HA LYS A 78 68.959 25.219 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.654 23.321 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.796 22.799 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 68.888 21.383 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 78 68.849 22.469 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.092 23.778 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.358 23.162 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 65.374 22.098 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 78 66.635 20.881 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.403 20.796 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.015 21.233 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 65.794 22.412 7.297 1.00 0.00 H new ATOM 1289 N THR A 79 71.271 24.343 7.408 1.00 0.00 N ATOM 1290 CA THR A 79 71.564 24.274 8.834 1.00 0.00 C ATOM 1291 C THR A 79 71.297 25.611 9.516 1.00 0.00 C ATOM 1292 O THR A 79 70.591 25.676 10.523 1.00 0.00 O ATOM 1293 CB THR A 79 73.028 23.865 9.087 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.318 22.639 8.406 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.294 23.699 10.575 1.00 0.00 C ATOM 0 H THR A 79 72.063 24.123 6.804 1.00 0.00 H new ATOM 0 HA THR A 79 70.904 23.516 9.256 1.00 0.00 H new ATOM 0 HB THR A 79 73.674 24.655 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.674 22.836 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.334 23.410 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.100 24.642 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.639 22.926 10.978 1.00 0.00 H new ATOM 1303 N LEU A 80 71.866 26.676 8.962 1.00 0.00 N ATOM 1304 CA LEU A 80 71.688 28.013 9.517 1.00 0.00 C ATOM 1305 C LEU A 80 70.210 28.385 9.581 1.00 0.00 C ATOM 1306 O LEU A 80 69.783 29.124 10.468 1.00 0.00 O ATOM 1307 CB LEU A 80 72.448 29.041 8.676 1.00 0.00 C ATOM 1308 CG LEU A 80 71.610 29.843 7.679 1.00 0.00 C ATOM 1309 CD1 LEU A 80 70.955 31.031 8.366 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.470 30.307 6.512 1.00 0.00 C ATOM 0 H LEU A 80 72.454 26.640 8.129 1.00 0.00 H new ATOM 0 HA LEU A 80 72.088 28.014 10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 80 72.941 29.740 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.233 28.522 8.126 1.00 0.00 H new ATOM 0 HG LEU A 80 70.824 29.196 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.363 31.590 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.307 30.676 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 80 71.725 31.680 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 71.858 30.876 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.278 30.938 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 80 72.891 29.440 6.003 1.00 0.00 H new ATOM 1322 N VAL A 81 69.433 27.864 8.636 1.00 0.00 N ATOM 1323 CA VAL A 81 68.002 28.138 8.587 1.00 0.00 C ATOM 1324 C VAL A 81 67.285 27.537 9.791 1.00 0.00 C ATOM 1325 O VAL A 81 66.458 28.193 10.426 1.00 0.00 O ATOM 1326 CB VAL A 81 67.368 27.584 7.297 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.044 26.900 7.604 1.00 0.00 C ATOM 1328 CG2 VAL A 81 67.180 28.695 6.276 1.00 0.00 C ATOM 0 H VAL A 81 69.771 27.250 7.895 1.00 0.00 H new ATOM 0 HA VAL A 81 67.887 29.222 8.603 1.00 0.00 H new ATOM 0 HB VAL A 81 68.043 26.842 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.611 26.515 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 81 66.212 26.076 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.359 27.619 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 81 66.731 28.285 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 81 66.526 29.463 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.148 29.134 6.034 1.00 0.00 H new ATOM 1338 N HIS A 82 67.609 26.286 10.102 1.00 0.00 N ATOM 1339 CA HIS A 82 66.997 25.596 11.232 1.00 0.00 C ATOM 1340 C HIS A 82 67.317 26.310 12.542 1.00 0.00 C ATOM 1341 O HIS A 82 66.449 26.472 13.401 1.00 0.00 O ATOM 1342 CB HIS A 82 67.483 24.147 11.295 1.00 0.00 C ATOM 1343 CG HIS A 82 66.646 23.273 12.178 1.00 0.00 C ATOM 1344 ND1 HIS A 82 67.024 22.002 12.555 1.00 0.00 N ATOM 1345 CD2 HIS A 82 65.444 23.495 12.759 1.00 0.00 C ATOM 1346 CE1 HIS A 82 66.090 21.479 13.329 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.120 22.364 13.469 1.00 0.00 N ATOM 0 H HIS A 82 68.292 25.729 9.588 1.00 0.00 H new ATOM 0 HA HIS A 82 65.916 25.603 11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.491 23.731 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.512 24.133 11.654 1.00 0.00 H new ATOM 0 HD2 HIS A 82 64.850 24.394 12.679 1.00 0.00 H new ATOM 0 HE1 HIS A 82 66.115 20.494 13.772 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.269 22.230 14.015 1.00 0.00 H new ATOM 1355 N THR A 83 68.568 26.735 12.689 1.00 0.00 N ATOM 1356 CA THR A 83 69.002 27.430 13.895 1.00 0.00 C ATOM 1357 C THR A 83 68.419 28.837 13.959 1.00 0.00 C ATOM 1358 O THR A 83 68.194 29.377 15.041 1.00 0.00 O ATOM 1359 CB THR A 83 70.538 27.519 13.969 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.107 26.205 13.945 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.977 28.244 15.232 1.00 0.00 C ATOM 0 H THR A 83 69.298 26.610 11.988 1.00 0.00 H new ATOM 0 HA THR A 83 68.637 26.850 14.743 1.00 0.00 H new ATOM 0 HB THR A 83 70.889 28.082 13.104 1.00 0.00 H new ATOM 0 HG1 THR A 83 72.084 26.271 13.991 1.00 0.00 H new ATOM 0 HG21 THR A 83 72.065 28.295 15.263 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.566 29.254 15.233 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.614 27.704 16.106 1.00 0.00 H new ATOM 1369 N ALA A 84 68.175 29.425 12.792 1.00 0.00 N ATOM 1370 CA ALA A 84 67.615 30.769 12.716 1.00 0.00 C ATOM 1371 C ALA A 84 66.102 30.744 12.901 1.00 0.00 C ATOM 1372 O ALA A 84 65.469 31.788 13.056 1.00 0.00 O ATOM 1373 CB ALA A 84 67.977 31.417 11.388 1.00 0.00 C ATOM 0 H ALA A 84 68.356 28.992 11.887 1.00 0.00 H new ATOM 0 HA ALA A 84 68.043 31.361 13.525 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.552 32.420 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.061 31.478 11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.577 30.818 10.570 1.00 0.00 H new ATOM 1379 N SER A 85 65.528 29.545 12.882 1.00 0.00 N ATOM 1380 CA SER A 85 64.087 29.385 13.042 1.00 0.00 C ATOM 1381 C SER A 85 63.744 28.950 14.463 1.00 0.00 C ATOM 1382 O SER A 85 62.648 29.215 14.958 1.00 0.00 O ATOM 1383 CB SER A 85 63.552 28.361 12.039 1.00 0.00 C ATOM 1384 OG SER A 85 62.215 28.656 11.674 1.00 0.00 O ATOM 0 H SER A 85 66.038 28.671 12.757 1.00 0.00 H new ATOM 0 HA SER A 85 63.615 30.349 12.852 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.182 28.355 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.602 27.362 12.472 1.00 0.00 H new ATOM 0 HG SER A 85 61.896 27.988 11.031 1.00 0.00 H new ATOM 1390 N ILE A 86 64.689 28.280 15.115 1.00 0.00 N ATOM 1391 CA ILE A 86 64.488 27.808 16.479 1.00 0.00 C ATOM 1392 C ILE A 86 64.670 28.940 17.485 1.00 0.00 C ATOM 1393 O ILE A 86 64.840 30.098 17.106 1.00 0.00 O ATOM 1394 CB ILE A 86 65.458 26.664 16.828 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.901 27.175 16.835 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.301 25.517 15.842 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.911 26.126 17.246 1.00 0.00 C ATOM 0 H ILE A 86 65.601 28.052 14.720 1.00 0.00 H new ATOM 0 HA ILE A 86 63.465 27.435 16.536 1.00 0.00 H new ATOM 0 HB ILE A 86 65.218 26.295 17.825 1.00 0.00 H new ATOM 0 HG12 ILE A 86 67.153 27.541 15.840 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.974 28.024 17.514 1.00 0.00 H new ATOM 0 HG21 ILE A 86 65.993 24.716 16.102 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.279 25.140 15.882 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.518 25.871 14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.912 26.558 17.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.684 25.777 18.253 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.866 25.286 16.553 1.00 0.00 H new ATOM 1409 N ALA A 87 64.636 28.595 18.768 1.00 0.00 N ATOM 1410 CA ALA A 87 64.802 29.581 19.828 1.00 0.00 C ATOM 1411 C ALA A 87 66.245 29.621 20.320 1.00 0.00 C ATOM 1412 O ALA A 87 67.020 28.686 20.121 1.00 0.00 O ATOM 1413 CB ALA A 87 63.857 29.280 20.982 1.00 0.00 C ATOM 0 H ALA A 87 64.495 27.640 19.098 1.00 0.00 H new ATOM 0 HA ALA A 87 64.558 30.562 19.419 1.00 0.00 H new ATOM 0 HB1 ALA A 87 63.992 30.025 21.767 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.827 29.310 20.626 1.00 0.00 H new ATOM 0 HB3 ALA A 87 64.074 28.289 21.381 1.00 0.00 H new ATOM 1419 N PRO A 88 66.616 30.729 20.978 1.00 0.00 N ATOM 1420 CA PRO A 88 67.968 30.917 21.512 1.00 0.00 C ATOM 1421 C PRO A 88 68.257 30.000 22.695 1.00 0.00 C ATOM 1422 O PRO A 88 69.339 29.421 22.793 1.00 0.00 O ATOM 1423 CB PRO A 88 67.973 32.382 21.957 1.00 0.00 C ATOM 1424 CG PRO A 88 66.544 32.700 22.230 1.00 0.00 C ATOM 1425 CD PRO A 88 65.744 31.884 21.252 1.00 0.00 C ATOM 0 HA PRO A 88 68.734 30.679 20.774 1.00 0.00 H new ATOM 0 HB2 PRO A 88 68.587 32.523 22.847 1.00 0.00 H new ATOM 0 HB3 PRO A 88 68.382 33.030 21.181 1.00 0.00 H new ATOM 0 HG2 PRO A 88 66.278 32.450 23.257 1.00 0.00 H new ATOM 0 HG3 PRO A 88 66.350 33.765 22.101 1.00 0.00 H new ATOM 0 HD2 PRO A 88 64.788 31.575 21.674 1.00 0.00 H new ATOM 0 HD3 PRO A 88 65.525 32.446 20.344 1.00 0.00 H new ATOM 1433 N GLN A 89 67.283 29.872 23.591 1.00 0.00 N ATOM 1434 CA GLN A 89 67.434 29.024 24.767 1.00 0.00 C ATOM 1435 C GLN A 89 67.712 27.579 24.365 1.00 0.00 C ATOM 1436 O GLN A 89 68.257 26.802 25.148 1.00 0.00 O ATOM 1437 CB GLN A 89 66.177 29.092 25.636 1.00 0.00 C ATOM 1438 CG GLN A 89 64.904 28.719 24.893 1.00 0.00 C ATOM 1439 CD GLN A 89 63.738 28.459 25.827 1.00 0.00 C ATOM 1440 OE1 GLN A 89 62.940 29.353 26.106 1.00 0.00 O ATOM 1441 NE2 GLN A 89 63.635 27.228 26.316 1.00 0.00 N ATOM 0 H GLN A 89 66.382 30.345 23.525 1.00 0.00 H new ATOM 0 HA GLN A 89 68.284 29.391 25.342 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.299 28.425 26.489 1.00 0.00 H new ATOM 0 HB3 GLN A 89 66.074 30.102 26.033 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.641 29.522 24.205 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.087 27.830 24.290 1.00 0.00 H new ATOM 0 HE21 GLN A 89 64.320 26.518 26.057 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.871 26.993 26.950 1.00 0.00 H new ATOM 1450 N GLN A 90 67.333 27.228 23.141 1.00 0.00 N ATOM 1451 CA GLN A 90 67.541 25.876 22.636 1.00 0.00 C ATOM 1452 C GLN A 90 68.976 25.690 22.153 1.00 0.00 C ATOM 1453 O GLN A 90 69.626 24.695 22.477 1.00 0.00 O ATOM 1454 CB GLN A 90 66.564 25.578 21.497 1.00 0.00 C ATOM 1455 CG GLN A 90 65.106 25.595 21.927 1.00 0.00 C ATOM 1456 CD GLN A 90 64.209 24.825 20.977 1.00 0.00 C ATOM 1457 OE1 GLN A 90 64.567 24.586 19.823 1.00 0.00 O ATOM 1458 NE2 GLN A 90 63.035 24.433 21.458 1.00 0.00 N ATOM 0 H GLN A 90 66.881 27.860 22.481 1.00 0.00 H new ATOM 0 HA GLN A 90 67.359 25.178 23.453 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.709 26.311 20.704 1.00 0.00 H new ATOM 0 HB3 GLN A 90 66.798 24.601 21.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.021 25.169 22.927 1.00 0.00 H new ATOM 0 HG3 GLN A 90 64.762 26.627 21.990 1.00 0.00 H new ATOM 0 HE21 GLN A 90 62.779 24.653 22.421 1.00 0.00 H new ATOM 0 HE22 GLN A 90 62.389 23.912 20.865 1.00 0.00 H new ATOM 1467 N ARG A 91 69.463 26.652 21.377 1.00 0.00 N ATOM 1468 CA ARG A 91 70.820 26.593 20.848 1.00 0.00 C ATOM 1469 C ARG A 91 71.345 27.992 20.539 1.00 0.00 C ATOM 1470 O ARG A 91 71.010 28.578 19.510 1.00 0.00 O ATOM 1471 CB ARG A 91 70.861 25.731 19.584 1.00 0.00 C ATOM 1472 CG ARG A 91 70.926 24.239 19.866 1.00 0.00 C ATOM 1473 CD ARG A 91 69.577 23.572 19.649 1.00 0.00 C ATOM 1474 NE ARG A 91 69.713 22.241 19.062 1.00 0.00 N ATOM 1475 CZ ARG A 91 68.680 21.489 18.700 1.00 0.00 C ATOM 1476 NH1 ARG A 91 67.442 21.935 18.861 1.00 0.00 N ATOM 1477 NH2 ARG A 91 68.884 20.288 18.173 1.00 0.00 N ATOM 0 H ARG A 91 68.938 27.482 21.101 1.00 0.00 H new ATOM 0 HA ARG A 91 71.459 26.143 21.608 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.976 25.940 18.983 1.00 0.00 H new ATOM 0 HB3 ARG A 91 71.727 26.017 18.987 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.670 23.777 19.217 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.253 24.076 20.893 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.053 23.496 20.602 1.00 0.00 H new ATOM 0 HD3 ARG A 91 68.965 24.195 18.997 1.00 0.00 H new ATOM 0 HE ARG A 91 70.653 21.869 18.923 1.00 0.00 H new ATOM 0 HH11 ARG A 91 67.281 22.858 19.264 1.00 0.00 H new ATOM 0 HH12 ARG A 91 66.651 21.355 18.582 1.00 0.00 H new ATOM 0 HH21 ARG A 91 69.835 19.942 18.046 1.00 0.00 H new ATOM 0 HH22 ARG A 91 68.090 19.711 17.895 1.00 0.00 H new ATOM 1491 N ARG A 92 72.168 28.522 21.438 1.00 0.00 N ATOM 1492 CA ARG A 92 72.737 29.852 21.263 1.00 0.00 C ATOM 1493 C ARG A 92 73.416 29.978 19.902 1.00 0.00 C ATOM 1494 O ARG A 92 74.526 29.486 19.703 1.00 0.00 O ATOM 1495 CB ARG A 92 73.743 30.151 22.377 1.00 0.00 C ATOM 1496 CG ARG A 92 73.101 30.658 23.657 1.00 0.00 C ATOM 1497 CD ARG A 92 73.173 32.174 23.754 1.00 0.00 C ATOM 1498 NE ARG A 92 72.020 32.817 23.130 1.00 0.00 N ATOM 1499 CZ ARG A 92 71.829 34.132 23.117 1.00 0.00 C ATOM 1500 NH1 ARG A 92 72.712 34.938 23.690 1.00 0.00 N ATOM 1501 NH2 ARG A 92 70.755 34.642 22.529 1.00 0.00 N ATOM 0 H ARG A 92 72.455 28.050 22.295 1.00 0.00 H new ATOM 0 HA ARG A 92 71.924 30.577 21.313 1.00 0.00 H new ATOM 0 HB2 ARG A 92 74.308 29.245 22.598 1.00 0.00 H new ATOM 0 HB3 ARG A 92 74.457 30.893 22.020 1.00 0.00 H new ATOM 0 HG2 ARG A 92 72.059 30.339 23.694 1.00 0.00 H new ATOM 0 HG3 ARG A 92 73.601 30.213 24.517 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.229 32.468 24.802 1.00 0.00 H new ATOM 0 HD3 ARG A 92 74.087 32.525 23.275 1.00 0.00 H new ATOM 0 HE ARG A 92 71.323 32.224 22.679 1.00 0.00 H new ATOM 0 HH11 ARG A 92 73.540 34.549 24.142 1.00 0.00 H new ATOM 0 HH12 ARG A 92 72.564 35.947 23.679 1.00 0.00 H new ATOM 0 HH21 ARG A 92 70.074 34.025 22.086 1.00 0.00 H new ATOM 0 HH22 ARG A 92 70.610 35.652 22.520 1.00 0.00 H new ATOM 1515 N GLY A 93 72.741 30.642 18.969 1.00 0.00 N ATOM 1516 CA GLY A 93 73.294 30.820 17.639 1.00 0.00 C ATOM 1517 C GLY A 93 74.486 31.756 17.627 1.00 0.00 C ATOM 1518 O GLY A 93 74.579 32.664 18.453 1.00 0.00 O ATOM 0 H GLY A 93 71.821 31.060 19.110 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.593 29.851 17.241 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.522 31.212 16.977 1.00 0.00 H new ATOM 1522 N ALA A 94 75.402 31.535 16.690 1.00 0.00 N ATOM 1523 CA ALA A 94 76.593 32.366 16.574 1.00 0.00 C ATOM 1524 C ALA A 94 76.228 33.846 16.525 1.00 0.00 C ATOM 1525 O ALA A 94 75.092 34.220 16.234 1.00 0.00 O ATOM 1526 CB ALA A 94 77.391 31.976 15.339 1.00 0.00 C ATOM 0 H ALA A 94 75.342 30.786 16.000 1.00 0.00 H new ATOM 0 HA ALA A 94 77.209 32.200 17.458 1.00 0.00 H new ATOM 0 HB1 ALA A 94 78.278 32.605 15.265 1.00 0.00 H new ATOM 0 HB2 ALA A 94 77.693 30.931 15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 76.775 32.112 14.450 1.00 0.00 H new ATOM 1532 N PRO A 95 77.212 34.709 16.816 1.00 0.00 N ATOM 1533 CA PRO A 95 77.018 36.162 16.812 1.00 0.00 C ATOM 1534 C PRO A 95 76.815 36.716 15.406 1.00 0.00 C ATOM 1535 O PRO A 95 77.730 37.290 14.816 1.00 0.00 O ATOM 1536 CB PRO A 95 78.320 36.696 17.414 1.00 0.00 C ATOM 1537 CG PRO A 95 79.332 35.641 17.125 1.00 0.00 C ATOM 1538 CD PRO A 95 78.591 34.333 17.171 1.00 0.00 C ATOM 0 HA PRO A 95 76.125 36.455 17.365 1.00 0.00 H new ATOM 0 HB2 PRO A 95 78.602 37.649 16.965 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.220 36.866 18.486 1.00 0.00 H new ATOM 0 HG2 PRO A 95 79.789 35.796 16.148 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.136 35.660 17.860 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.005 33.612 16.466 1.00 0.00 H new ATOM 0 HD3 PRO A 95 78.641 33.877 18.160 1.00 0.00 H new ATOM 1546 N VAL A 96 75.610 36.540 14.873 1.00 0.00 N ATOM 1547 CA VAL A 96 75.286 37.023 13.536 1.00 0.00 C ATOM 1548 C VAL A 96 74.107 37.989 13.572 1.00 0.00 C ATOM 1549 O VAL A 96 73.286 37.972 14.488 1.00 0.00 O ATOM 1550 CB VAL A 96 74.954 35.859 12.584 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.228 35.175 12.111 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.025 34.864 13.263 1.00 0.00 C ATOM 0 H VAL A 96 74.841 36.066 15.347 1.00 0.00 H new ATOM 0 HA VAL A 96 76.168 37.545 13.165 1.00 0.00 H new ATOM 0 HB VAL A 96 74.441 36.262 11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 96 75.973 34.355 11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 76.853 35.895 11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 96 76.772 34.784 12.971 1.00 0.00 H new ATOM 0 HG21 VAL A 96 73.801 34.048 12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 96 74.508 34.465 14.155 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.099 35.365 13.546 1.00 0.00 H new ATOM 1562 N PRO A 97 74.020 38.853 12.550 1.00 0.00 N ATOM 1563 CA PRO A 97 72.944 39.843 12.440 1.00 0.00 C ATOM 1564 C PRO A 97 71.594 39.201 12.140 1.00 0.00 C ATOM 1565 O PRO A 97 71.510 38.243 11.372 1.00 0.00 O ATOM 1566 CB PRO A 97 73.390 40.723 11.269 1.00 0.00 C ATOM 1567 CG PRO A 97 74.272 39.845 10.450 1.00 0.00 C ATOM 1568 CD PRO A 97 74.964 38.931 11.422 1.00 0.00 C ATOM 0 HA PRO A 97 72.797 40.391 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.536 41.076 10.691 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.925 41.606 11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.691 39.275 9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.995 40.435 9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.152 37.949 10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.929 39.332 11.733 1.00 0.00 H new ATOM 1576 N GLN A 98 70.541 39.734 12.751 1.00 0.00 N ATOM 1577 CA GLN A 98 69.195 39.212 12.549 1.00 0.00 C ATOM 1578 C GLN A 98 68.799 39.282 11.077 1.00 0.00 C ATOM 1579 O GLN A 98 68.045 38.443 10.588 1.00 0.00 O ATOM 1580 CB GLN A 98 68.190 39.992 13.397 1.00 0.00 C ATOM 1581 CG GLN A 98 68.066 39.475 14.822 1.00 0.00 C ATOM 1582 CD GLN A 98 69.189 39.958 15.718 1.00 0.00 C ATOM 1583 OE1 GLN A 98 69.308 41.152 15.994 1.00 0.00 O ATOM 1584 NE2 GLN A 98 70.021 39.031 16.177 1.00 0.00 N ATOM 0 H GLN A 98 70.594 40.527 13.390 1.00 0.00 H new ATOM 0 HA GLN A 98 69.188 38.167 12.859 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.486 41.041 13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.212 39.950 12.917 1.00 0.00 H new ATOM 0 HG2 GLN A 98 67.111 39.795 15.239 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.059 38.385 14.810 1.00 0.00 H new ATOM 0 HE21 GLN A 98 69.885 38.053 15.923 1.00 0.00 H new ATOM 0 HE22 GLN A 98 70.796 39.297 16.784 1.00 0.00 H new ATOM 1593 N GLU A 99 69.314 40.289 10.379 1.00 0.00 N ATOM 1594 CA GLU A 99 69.012 40.469 8.963 1.00 0.00 C ATOM 1595 C GLU A 99 69.449 39.251 8.155 1.00 0.00 C ATOM 1596 O GLU A 99 68.799 38.873 7.180 1.00 0.00 O ATOM 1597 CB GLU A 99 69.702 41.725 8.427 1.00 0.00 C ATOM 1598 CG GLU A 99 71.209 41.581 8.294 1.00 0.00 C ATOM 1599 CD GLU A 99 71.946 42.875 8.582 1.00 0.00 C ATOM 1600 OE1 GLU A 99 71.909 43.333 9.743 1.00 0.00 O ATOM 1601 OE2 GLU A 99 72.560 43.428 7.646 1.00 0.00 O ATOM 0 H GLU A 99 69.941 40.992 10.770 1.00 0.00 H new ATOM 0 HA GLU A 99 67.933 40.584 8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 99 69.282 41.973 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 99 69.482 42.561 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.558 40.808 8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 99 71.451 41.246 7.285 1.00 0.00 H new ATOM 1608 N LEU A 100 70.555 38.640 8.567 1.00 0.00 N ATOM 1609 CA LEU A 100 71.080 37.464 7.882 1.00 0.00 C ATOM 1610 C LEU A 100 70.125 36.283 8.018 1.00 0.00 C ATOM 1611 O LEU A 100 69.832 35.593 7.040 1.00 0.00 O ATOM 1612 CB LEU A 100 72.453 37.092 8.446 1.00 0.00 C ATOM 1613 CG LEU A 100 73.658 37.474 7.586 1.00 0.00 C ATOM 1614 CD1 LEU A 100 73.586 38.940 7.188 1.00 0.00 C ATOM 1615 CD2 LEU A 100 74.955 37.184 8.327 1.00 0.00 C ATOM 0 H LEU A 100 71.105 38.940 9.372 1.00 0.00 H new ATOM 0 HA LEU A 100 71.181 37.705 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.563 37.566 9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.476 36.015 8.610 1.00 0.00 H new ATOM 0 HG LEU A 100 73.639 36.871 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 100 74.452 39.194 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 72.674 39.118 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 100 73.580 39.560 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 100 75.802 37.462 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 100 74.983 37.761 9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 100 75.010 36.121 8.561 1.00 0.00 H new ATOM 1627 N LEU A 101 69.641 36.057 9.234 1.00 0.00 N ATOM 1628 CA LEU A 101 68.716 34.960 9.497 1.00 0.00 C ATOM 1629 C LEU A 101 67.372 35.207 8.820 1.00 0.00 C ATOM 1630 O LEU A 101 66.635 34.267 8.519 1.00 0.00 O ATOM 1631 CB LEU A 101 68.517 34.785 11.004 1.00 0.00 C ATOM 1632 CG LEU A 101 69.776 34.478 11.816 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.785 33.719 10.969 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.388 35.762 12.356 1.00 0.00 C ATOM 0 H LEU A 101 69.873 36.618 10.053 1.00 0.00 H new ATOM 0 HA LEU A 101 69.147 34.047 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 101 68.067 35.696 11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.800 33.980 11.165 1.00 0.00 H new ATOM 0 HG LEU A 101 69.496 33.849 12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.674 33.509 11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.344 32.781 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.061 34.322 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.283 35.525 12.931 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.653 36.416 11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.667 36.267 12.999 1.00 0.00 H new ATOM 1646 N ASP A 102 67.060 36.476 8.581 1.00 0.00 N ATOM 1647 CA ASP A 102 65.805 36.846 7.937 1.00 0.00 C ATOM 1648 C ASP A 102 65.832 36.493 6.453 1.00 0.00 C ATOM 1649 O ASP A 102 64.879 35.921 5.924 1.00 0.00 O ATOM 1650 CB ASP A 102 65.539 38.342 8.113 1.00 0.00 C ATOM 1651 CG ASP A 102 64.174 38.752 7.598 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.168 38.162 8.047 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.110 39.663 6.747 1.00 0.00 O ATOM 0 H ASP A 102 67.659 37.266 8.823 1.00 0.00 H new ATOM 0 HA ASP A 102 65.001 36.283 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 102 65.618 38.600 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.308 38.909 7.588 1.00 0.00 H new ATOM 1658 N ARG A 103 66.929 36.839 5.787 1.00 0.00 N ATOM 1659 CA ARG A 103 67.078 36.560 4.364 1.00 0.00 C ATOM 1660 C ARG A 103 67.139 35.057 4.107 1.00 0.00 C ATOM 1661 O ARG A 103 66.559 34.558 3.143 1.00 0.00 O ATOM 1662 CB ARG A 103 68.341 37.233 3.821 1.00 0.00 C ATOM 1663 CG ARG A 103 69.591 36.924 4.628 1.00 0.00 C ATOM 1664 CD ARG A 103 70.832 37.518 3.983 1.00 0.00 C ATOM 1665 NE ARG A 103 70.731 38.968 3.833 1.00 0.00 N ATOM 1666 CZ ARG A 103 71.643 39.709 3.215 1.00 0.00 C ATOM 1667 NH1 ARG A 103 72.720 39.139 2.691 1.00 0.00 N ATOM 1668 NH2 ARG A 103 71.480 41.022 3.119 1.00 0.00 N ATOM 0 H ARG A 103 67.727 37.313 6.210 1.00 0.00 H new ATOM 0 HA ARG A 103 66.207 36.964 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.497 36.916 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.188 38.312 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.480 37.319 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.709 35.844 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 103 71.706 37.276 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 103 70.986 37.062 3.005 1.00 0.00 H new ATOM 0 HE ARG A 103 69.914 39.437 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 103 72.849 38.130 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.419 39.710 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 103 70.653 41.464 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.182 41.590 2.644 1.00 0.00 H new ATOM 1682 N VAL A 104 67.845 34.342 4.977 1.00 0.00 N ATOM 1683 CA VAL A 104 67.981 32.896 4.845 1.00 0.00 C ATOM 1684 C VAL A 104 66.641 32.197 5.047 1.00 0.00 C ATOM 1685 O VAL A 104 66.270 31.309 4.279 1.00 0.00 O ATOM 1686 CB VAL A 104 68.999 32.334 5.855 1.00 0.00 C ATOM 1687 CG1 VAL A 104 69.250 30.856 5.594 1.00 0.00 C ATOM 1688 CG2 VAL A 104 70.298 33.122 5.796 1.00 0.00 C ATOM 0 H VAL A 104 68.331 34.740 5.780 1.00 0.00 H new ATOM 0 HA VAL A 104 68.339 32.702 3.834 1.00 0.00 H new ATOM 0 HB VAL A 104 68.584 32.436 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 104 69.972 30.476 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 104 68.314 30.305 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 104 69.644 30.726 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 104 71.006 32.711 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 104 70.720 33.054 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 104 70.101 34.167 6.036 1.00 0.00 H new ATOM 1698 N LEU A 105 65.919 32.604 6.085 1.00 0.00 N ATOM 1699 CA LEU A 105 64.618 32.018 6.389 1.00 0.00 C ATOM 1700 C LEU A 105 63.584 32.415 5.341 1.00 0.00 C ATOM 1701 O LEU A 105 62.877 31.566 4.799 1.00 0.00 O ATOM 1702 CB LEU A 105 64.150 32.458 7.777 1.00 0.00 C ATOM 1703 CG LEU A 105 64.541 31.543 8.939 1.00 0.00 C ATOM 1704 CD1 LEU A 105 63.749 30.246 8.886 1.00 0.00 C ATOM 1705 CD2 LEU A 105 66.036 31.259 8.914 1.00 0.00 C ATOM 0 H LEU A 105 66.212 33.337 6.730 1.00 0.00 H new ATOM 0 HA LEU A 105 64.723 30.933 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.549 33.453 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 105 63.064 32.547 7.761 1.00 0.00 H new ATOM 0 HG LEU A 105 64.304 32.052 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.040 29.608 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 105 62.684 30.467 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.954 29.732 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 105 66.296 30.607 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 105 66.298 30.771 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 105 66.586 32.196 9.001 1.00 0.00 H new ATOM 1717 N ALA A 106 63.502 33.711 5.060 1.00 0.00 N ATOM 1718 CA ALA A 106 62.557 34.221 4.074 1.00 0.00 C ATOM 1719 C ALA A 106 62.681 33.468 2.754 1.00 0.00 C ATOM 1720 O ALA A 106 61.681 33.059 2.165 1.00 0.00 O ATOM 1721 CB ALA A 106 62.774 35.711 3.856 1.00 0.00 C ATOM 0 H ALA A 106 64.079 34.427 5.501 1.00 0.00 H new ATOM 0 HA ALA A 106 61.549 34.064 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.062 36.078 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.627 36.242 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.789 35.882 3.497 1.00 0.00 H new ATOM 1727 N ALA A 107 63.916 33.288 2.294 1.00 0.00 N ATOM 1728 CA ALA A 107 64.170 32.583 1.044 1.00 0.00 C ATOM 1729 C ALA A 107 63.769 31.116 1.150 1.00 0.00 C ATOM 1730 O ALA A 107 63.144 30.567 0.243 1.00 0.00 O ATOM 1731 CB ALA A 107 65.637 32.704 0.659 1.00 0.00 C ATOM 0 H ALA A 107 64.755 33.621 2.769 1.00 0.00 H new ATOM 0 HA ALA A 107 63.562 33.044 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.813 32.173 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 107 65.895 33.756 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.256 32.270 1.444 1.00 0.00 H new ATOM 1737 N GLN A 108 64.133 30.486 2.263 1.00 0.00 N ATOM 1738 CA GLN A 108 63.811 29.081 2.485 1.00 0.00 C ATOM 1739 C GLN A 108 62.315 28.834 2.325 1.00 0.00 C ATOM 1740 O GLN A 108 61.901 27.897 1.643 1.00 0.00 O ATOM 1741 CB GLN A 108 64.265 28.647 3.880 1.00 0.00 C ATOM 1742 CG GLN A 108 64.492 27.149 4.007 1.00 0.00 C ATOM 1743 CD GLN A 108 63.258 26.412 4.490 1.00 0.00 C ATOM 1744 OE1 GLN A 108 62.425 26.972 5.202 1.00 0.00 O ATOM 1745 NE2 GLN A 108 63.136 25.147 4.104 1.00 0.00 N ATOM 0 H GLN A 108 64.650 30.926 3.024 1.00 0.00 H new ATOM 0 HA GLN A 108 64.340 28.490 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 108 65.189 29.169 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.516 28.956 4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.795 26.748 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 108 65.314 26.967 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 108 63.851 24.723 3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 108 62.327 24.600 4.398 1.00 0.00 H new ATOM 1754 N ALA A 109 61.509 29.680 2.958 1.00 0.00 N ATOM 1755 CA ALA A 109 60.059 29.553 2.884 1.00 0.00 C ATOM 1756 C ALA A 109 59.555 29.827 1.471 1.00 0.00 C ATOM 1757 O ALA A 109 58.660 29.141 0.976 1.00 0.00 O ATOM 1758 CB ALA A 109 59.395 30.498 3.875 1.00 0.00 C ATOM 0 H ALA A 109 61.836 30.460 3.528 1.00 0.00 H new ATOM 0 HA ALA A 109 59.796 28.528 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.312 30.392 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.722 30.254 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.674 31.525 3.641 1.00 0.00 H new ATOM 1764 N TYR A 110 60.135 30.834 0.826 1.00 0.00 N ATOM 1765 CA TYR A 110 59.742 31.200 -0.530 1.00 0.00 C ATOM 1766 C TYR A 110 59.987 30.047 -1.498 1.00 0.00 C ATOM 1767 O TYR A 110 59.159 29.763 -2.364 1.00 0.00 O ATOM 1768 CB TYR A 110 60.513 32.439 -0.989 1.00 0.00 C ATOM 1769 CG TYR A 110 59.813 33.740 -0.671 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.332 33.999 0.607 1.00 0.00 C ATOM 1771 CD2 TYR A 110 59.631 34.711 -1.648 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.691 35.187 0.902 1.00 0.00 C ATOM 1773 CE2 TYR A 110 58.992 35.902 -1.361 1.00 0.00 C ATOM 1774 CZ TYR A 110 58.524 36.135 -0.085 1.00 0.00 C ATOM 1775 OH TYR A 110 57.886 37.319 0.204 1.00 0.00 O ATOM 0 H TYR A 110 60.878 31.411 1.220 1.00 0.00 H new ATOM 0 HA TYR A 110 58.675 31.425 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.496 32.440 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 110 60.676 32.377 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 110 59.461 33.259 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 110 59.995 34.532 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 110 58.323 35.372 1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 110 58.860 36.647 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 110 57.852 37.877 -0.601 1.00 0.00 H new ATOM 1785 N TRP A 111 61.129 29.386 -1.344 1.00 0.00 N ATOM 1786 CA TRP A 111 61.483 28.263 -2.204 1.00 0.00 C ATOM 1787 C TRP A 111 60.786 26.986 -1.747 1.00 0.00 C ATOM 1788 O TRP A 111 60.674 26.024 -2.506 1.00 0.00 O ATOM 1789 CB TRP A 111 62.999 28.057 -2.210 1.00 0.00 C ATOM 1790 CG TRP A 111 63.741 29.132 -2.946 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.794 29.866 -2.480 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.485 29.593 -4.277 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.208 30.757 -3.441 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.422 30.608 -4.553 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.558 29.246 -5.262 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.455 31.279 -5.773 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.591 29.913 -6.473 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.535 30.919 -6.720 1.00 0.00 C ATOM 0 H TRP A 111 61.825 29.608 -0.632 1.00 0.00 H new ATOM 0 HA TRP A 111 61.150 28.494 -3.216 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.357 28.017 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 111 63.226 27.092 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.236 29.762 -1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 111 65.976 31.421 -3.342 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.828 28.471 -5.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.181 32.056 -5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.877 29.654 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.536 31.420 -7.677 1.00 0.00 H new ATOM 1809 N SER A 112 60.320 26.985 -0.503 1.00 0.00 N ATOM 1810 CA SER A 112 59.636 25.824 0.056 1.00 0.00 C ATOM 1811 C SER A 112 58.427 25.445 -0.793 1.00 0.00 C ATOM 1812 O SER A 112 58.137 26.086 -1.803 1.00 0.00 O ATOM 1813 CB SER A 112 59.196 26.109 1.494 1.00 0.00 C ATOM 1814 OG SER A 112 58.859 24.910 2.170 1.00 0.00 O ATOM 0 H SER A 112 60.403 27.775 0.137 1.00 0.00 H new ATOM 0 HA SER A 112 60.334 24.987 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.997 26.619 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.338 26.781 1.489 1.00 0.00 H new ATOM 0 HG SER A 112 58.583 25.118 3.087 1.00 0.00 H new